| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 3-Indoleacetonitrile 3-Indoleacetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 771-51-7 , [771-51-7]
(indol-3-yl)acetonitrile; 3-(cyanomethyl)indole; 3-indolylacetonitrile
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.05 | 1.72 | -10.43 | 1 | 2 | 0 | 40 | 156.188 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 156 - 160 (p=0.2 torr) | Acros Organics |
| Mp [°C] | 35 - 37 | Acros Organics |
| MP | 35...37 | Enamine Building Blocks |
| MP | 37 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| UniProt Database Links | AMI1_ARATH; GSTF6_ARATH; NITR_PSEU2; NRG1_CANAL; NRL1_ARATH; NRL2_ARATH; NRL3_ARATH; NRL4_ARATH | ChEBI |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
